463 citations · 2.3k across the 58 of their papers we have counts for
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Disordered Crystals from First Principles I: Quantifying the Configuration Space
Thomas D. Kühne, Emil Prodan
This work represents the first chapter of a project on the foundations of first-principle calculations of the electron transport in crystals at finite temperatures. We are interest…
Nuclear Quantum Effects Induce Metallization of Dense Solid Molecular Hydrogen
Sam Azadi, Ranber Singh, T. D. Kühne
We present an accurate computational study of the electronic structure and lattice dynamics of solid molecular hydrogen at high pressure. The band-gap energies of the , ,…
A Massively Parallel Algorithm for the Approximate Calculation of Inverse p-th Roots of Large Sparse Matrices
Michael Lass, Stephan Mohr, Hendrik Wiebeler +2
We present the submatrix method, a highly parallelizable method for the approximate calculation of inverse p-th roots of large sparse symmetric matrices which are required in diffe…
Using Approximate Computing for the Calculation of Inverse Matrix p-th Roots
Michael Lass, Thomas D. Kühne, Christian Plessl
Approximate computing has shown to provide new ways to improve performance and power consumption of error-resilient applications. While many of these applications can be found in i…